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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
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| You are here: Home > Ions > Energy > Calculated Ionization Energy OR Calculated > Energy > Ion > Calculated Ionization Energy | |
| Cation | Neutral | Difference | Vertical | Difference | |||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
| Hartrees | -352.1195963 | -352.5400573 | 0.4204610 | -352.0735480 | 0.4665093 | ||||||
| cm-1 | 2710.1 | 2516.3 | 193.7 | ||||||||
| eV | -9581.661 | 0.336 | -9581.325 | -9593.103 | 0.312 | -9592.791 | 11.441 | 0.024 | 11.465 | -9580.408 | 12.694 |